CID 178244231

6-methylpyrrolo[2,1-b][1,3]thiazole 1-oxide

Structural Information

Molecular Formula
C7H7NOS
SMILES
CC1=CN2C=CS(=O)C2=C1
InChI
InChI=1S/C7H7NOS/c1-6-4-7-8(5-6)2-3-10(7)9/h2-5H,1H3
InChIKey
NKWYIPVTHXAWHT-UHFFFAOYSA-N
Compound name
6-methylpyrrolo[2,1-b][1,3]thiazole 1-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.02484 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.032116 128.4
[M+Na]+ 176.014058 141.0
[M-H]- 152.017564 133.4
[M+NH4]+ 171.058663 154.3
[M+K]+ 191.987998 138.8
[M+H-H2O]+ 136.022100 124.2
[M+HCOO]- 198.023041 149.3
[M+CH3COO]- 212.038691 144.3
[M+Na-2H]- 173.999506 131.0
[M]+ 153.02429142 132.8
[M]- 153.02538858 132.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.